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使用多尺度分子建模分析菲律宾药用植物可能的NS2b-NS3蛋白酶抑制剂

Allen Mathew Fortuno Cordero1, Arthur A Gonzales1

  • 1Department of Chemical Engineering, University of the Philippines Diliman, Quezon City 1101, Philippines.

Current issues in molecular biology
|July 26, 2024
PubMed
概括

菲律宾的植物含有具有潜在抗登革热活性的化合物. 计算方法确定了六种有前途的候选药物,具有有利的特性,可用于登革热治疗的开发.

关键词:
在NS2b-NS3蛋白酶中.计算机辅助药物设计登革热病毒感染者分子建模分子建模植物化学品 植物化学品

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Antifungal Agents01:15

Antifungal Agents

Amphotericin B is a broad-spectrum antifungal agent that exploits structural differences between fungal and mammalian cell membranes. Its amphipathic structure—featuring a hydrophobic polyene-lactone ring and a hydrophilic region containing mycosamine and carboxylic acid groups—enables selective binding to ergosterol, a sterol predominantly found in fungal plasma membranes. This selective interaction underlies the drug’s antifungal activity, although weak binding to cholesterol contributes to...